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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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Title
Localization of heteroatoms Fe and Nb in the layered structure of ferroelectric La4 Ti4 O14.
Authors
Titov, Yu.O.;Sych, A.M.;Markiv, V.Ya.;Belyavina, N.M.;Kapshuk, A.O.
Reference
IC&volume=2002&fpage=162&details=yes target=icsd_help>Dopov. Nats. Akad. Nauk. Ukr. (2002)
2002
, 162-166
Link
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Compound
Fe0.5 La4 Nb0.5 O14 Ti3
- Lanthanum titanium niobium iron(III) oxide (4/3/0.5/0.5/14)
[
A2B2X7
] [
oP88
] [
a22
] [
]
Cell
25.772(5), 7.834(2), 5.545(1), 90, 90, 90
PNA21 (33)
V=1119.52
Remarks
R=0.045400 : X
Atom (site) Oxid.
x, y, z, B, Occupancy
La1
(4a)
3
La2
(4a)
3
La3
(4a)
3
La4
(4a)
3
Ti1
(4a)
4
Nb1
(4a)
5
Ti2
(4a)
4
Fe1
(4a)
3
Ti3
(4a)
4
Fe2
(4a)
3
Ti4
(4a)
4
Nb2
(4a)
5
O1
(4a)
-2
O2
(4a)
-2
O3
(4a)
-2
O4
(4a)
-2
O5
(4a)
-2
O6
(4a)
-2
O7
(4a)
-2
O8
(4a)
-2
O9
(4a)
-2
O10
(4a)
-2
O11
(4a)
-2
O12
(4a)
-2
O13
(4a)
-2
O14
(4a)
-2
0.05
0.36
0.32
0.79
1
0.20
0.36
0.75
0.79
1
0.30
0.36
0.24
0.79
1
0.45
0.38
0.76
0.79
1
0.08
0.10
0.75
0.79
0.75
0.08
0.10
0.75
0.79
0.25
0.18
0.11
0.24
0.79
0.75
0.18
0.11
0.24
0.79
0.25
0.31
0.11
0.74
0.79
0.75
0.31
0.11
0.74
0.79
0.25
0.41
0.10
0.26
0.79
0.75
0.41
0.10
0.26
0.79
0.25
0.02
0.11
0.55
0.79
1
0.06
0.12
0.08
0.79
1
0.08
0.36
0.82
0.79
1
0.16
0.09
0.56
0.79
1
0.15
0.09
0.96
0.79
1
0.19
0.36
0.22
0.79
1
0.25
0.11
0.5
0.79
1
0.25
0.12
0.
0.79
1
0.30
0.36
0.75
0.79
1
0.35
0.09
0.46
0.79
1
0.33
0.09
0.07
0.79
1
0.41
0.36
0.33
0.79
1
0.44
0.12
0.58
0.79
1
0.47
0.11
0.05
0.79
1
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